N-[(E)-oct-5-enyl]formamide

C9H17NO — CID 21391943

IUPACN-[(E)-oct-5-enyl]formamide
SMILESCC/C=C/CCCCNC=O
InChIInChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h3-4,9H,2,5-8H2,1H3,(H,10,11)/b4-3+
InChIKeyWCJSAYAUGUNAPK-ONEGZZNKSA-N
MW155.24 g/mol
LogP1.87
Rot. Bonds7

About N-[(E)-oct-5-enyl]formamide

N-[(E)-oct-5-enyl]formamide (PubChem CID 21391943) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-[(E)-oct-5-enyl]formamide.

Molecular Properties

Compound NameN-[(E)-oct-5-enyl]formamide
PubChem CID21391943
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-[(E)-oct-5-enyl]formamide
SMILESCC/C=C/CCCCNC=O
InChIInChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h3-4,9H,2,5-8H2,1H3,(H,10,11)/b4-3+
InChIKeyWCJSAYAUGUNAPK-ONEGZZNKSA-N
XLogP1.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(E)-oct-5-enyl]formamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(E)-oct-5-enyl]formamide?
The IUPAC name of N-[(E)-oct-5-enyl]formamide (CID 21391943) is N-[(E)-oct-5-enyl]formamide.
What is the SMILES notation for N-[(E)-oct-5-enyl]formamide?
The canonical SMILES for N-[(E)-oct-5-enyl]formamide is CC/C=C/CCCCNC=O.
What is the InChIKey of N-[(E)-oct-5-enyl]formamide?
The InChIKey is WCJSAYAUGUNAPK-ONEGZZNKSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-4-5-6-7-8-10-9-11/h3-4,9H,2,5-8H2,1H3,(H,10,11)/b4-3+.
What are the key properties of N-[(E)-oct-5-enyl]formamide?
N-[(E)-oct-5-enyl]formamide has a molecular weight of 155.24 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-oct-5-enyl]formamide is sourced from PubChem (CID 21391943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).